(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-ol;hydrochloride

C9H12ClNO — CID 66973108

IUPAC(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-ol;hydrochloride
SMILESCl.N[C@H]1c2ccccc2C[C@@H]1O
InChIInChI=1S/C9H11NO.ClH/c10-9-7-4-2-1-3-6(7)5-8(9)11;/h1-4,8-9,11H,5,10H2;1H/t8-,9-;/m0./s1
InChIKeySETOMUXBRSPONI-OZZZDHQUSA-N
MW185.65 g/mol
LogP1.03
Rot. Bonds

About (1S,2S)-1-amino-2,3-dihydro-1H-inden-2-ol;hydrochloride

(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-ol;hydrochloride (PubChem CID 66973108) has the molecular formula C9H12ClNO and a molecular weight of 185.65 g/mol. Its IUPAC name is (1S,2S)-1-amino-2,3-dihydro-1H-inden-2-ol;hydrochloride.

Molecular Properties

Compound Name(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-ol;hydrochloride
PubChem CID66973108
Molecular FormulaC9H12ClNO
Molecular Weight185.65 g/mol
Exact Mass185.06
IUPAC Name(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-ol;hydrochloride
SMILESCl.N[C@H]1c2ccccc2C[C@@H]1O
InChIInChI=1S/C9H11NO.ClH/c10-9-7-4-2-1-3-6(7)5-8(9)11;/h1-4,8-9,11H,5,10H2;1H/t8-,9-;/m0./s1
InChIKeySETOMUXBRSPONI-OZZZDHQUSA-N
XLogP1.03
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.65
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1-amino-2,3-dihydro-1H-inden-2-ol;hydrochloride?
The IUPAC name of (1S,2S)-1-amino-2,3-dihydro-1H-inden-2-ol;hydrochloride (CID 66973108) is (1S,2S)-1-amino-2,3-dihydro-1H-inden-2-ol;hydrochloride.
What is the SMILES notation for (1S,2S)-1-amino-2,3-dihydro-1H-inden-2-ol;hydrochloride?
The canonical SMILES for (1S,2S)-1-amino-2,3-dihydro-1H-inden-2-ol;hydrochloride is Cl.N[C@H]1c2ccccc2C[C@@H]1O.
What is the InChIKey of (1S,2S)-1-amino-2,3-dihydro-1H-inden-2-ol;hydrochloride?
The InChIKey is SETOMUXBRSPONI-OZZZDHQUSA-N. The full InChI is InChI=1S/C9H11NO.ClH/c10-9-7-4-2-1-3-6(7)5-8(9)11;/h1-4,8-9,11H,5,10H2;1H/t8-,9-;/m0./s1.
What are the key properties of (1S,2S)-1-amino-2,3-dihydro-1H-inden-2-ol;hydrochloride?
(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-ol;hydrochloride has a molecular weight of 185.65 g/mol, XLogP of 1.03, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1-amino-2,3-dihydro-1H-inden-2-ol;hydrochloride is sourced from PubChem (CID 66973108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).